75 citations · 86 across the 6 of their papers we have counts for
6 papers
Intermediate Phase in Germanium-Selenide glasses: A Theoretical and Experimental Study
F. Inam, G. Chen, D. N. Tafen +1
A theoretical and experimental study of the Intermediate Phase (IP) in GexSe1-x is presented. Based on ab initio molecular dynamics (MD) models of these glasses, a generic atomic p…
Electronic Signature of the Intermediate Phase in Ge_xSe_{1-x} Glasses: A Joint Theoretical and Experimental Study
F. Inam, G. Chen, D. N. Tafen +1
Raman and calorimetric studies on Ge_xSe_{1-x} glasses have provided evidence for the existence of the intermediate phase (IP) in chalcogenide and other glasses. Here, we present X…
{\it Ab initio} Simulation of Silver Transport in Ge_xSe_1-x: Ag
De Nyago Tafen, D. A. Drabold, M. Mitkova
In this paper, we present models of Ge-Se glasses heavily doped with Ag obtained from {\it ab initio} simulation and study the dynamics of the network with an emphasis on the motio…
Direct ab initio MD simulation of silver ion diffusion in chalcogenide glasses
De Nyago Tafen, D. A. Drabold, M. Mitkova
In this paper, we present new models of germanium selenide chalcogenide glasses heavily doped with silver. The models were readily obtained with ab initio molecular dynamics and th…
Experimentally Constrained Molecular Relaxation: The Case of Glassy GeSe2
Parthapratim Biswas, De Nyago Tafen, D. A. Drabold
An ideal atomistic model of a disordered material should contradict no experiments,and should also be consistent with accurate force fields (either {\it ab initio}or empirical). We…
Recent Developments in Computer Modeling of Amorphous Materials
D. A. Drabold, P. Biswas, D. Tafen +1
In this paper, we review some recent work on amorphous materials using current "first principles" electronic structure/molecular dynamics techniques. The main theme of the paper is…